General Information of the Compound
| Compound ID |
CP0443135
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| Compound Name |
US8791272, 2.20
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| Structure |
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| Formula |
C23H23Cl2N3O3
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| Molecular Weight |
460.361
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H23Cl2N3O3/c1-3-19-17(12-21(29)30)20(4-2)28(27-19)13-14-8-10-15(11-9-14)26-23(31)16-6-5-7-18(24)22(16)25/h5-11H,3-4,12-13H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
PSFAYHDZDRLGFR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound